3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide

C16H15N3O — CID 84579294

IUPAC3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3cccnc3)c(C)c2c1
InChIInChI=1S/C16H15N3O/c1-10-5-6-14-13(8-10)11(2)15(19-14)16(20)18-12-4-3-7-17-9-12/h3-9,19H,1-2H3,(H,18,20)
InChIKeyDEOJCVCXRQTOIB-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.43
Rot. Bonds2

About 3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide

3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide (PubChem CID 84579294) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
PubChem CID84579294
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3cccnc3)c(C)c2c1
InChIInChI=1S/C16H15N3O/c1-10-5-6-14-13(8-10)11(2)15(19-14)16(20)18-12-4-3-7-17-9-12/h3-9,19H,1-2H3,(H,18,20)
InChIKeyDEOJCVCXRQTOIB-UHFFFAOYSA-N
XLogP3.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578341
N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578289
7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide
CID 172892515
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide
CID 113205056
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide
CID 75511238
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 95225196

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide (CID 84579294) is 3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)Nc3cccnc3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide?
The InChIKey is DEOJCVCXRQTOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-5-6-14-13(8-10)11(2)15(19-14)16(20)18-12-4-3-7-17-9-12/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of 3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide?
3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 84579294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).